4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-ethyl-piperazine-1-carbothioamide

Systemtic Name: 4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-ethyl-piperazine-1-carbothioamide Openeye Name: 4-[(2-chloro-6-fluoro-phenyl)methyl]-N-ethyl-piperazine-1-carbothioamide CAS Name: 4-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-1-piperazinecarbothioamide IUPAC Name: 4-[(2-chloro-6-fluorophenyl)methyl]-N-ethylpiperazine-1-carbothioamide Traditional Name: 4-(2-chloro-6-fluoro-benzyl)-N-ethyl-piperazine-1-carbothioamide Formula: C14H19ClFN3S MolecularWeight: 315.837163

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)N1CCN(CC1)CC2=C(C=CC=C2Cl)F

Isomeric SMILES

CCNC(=S)N1CCN(CC1)CC2=C(C=CC=C2Cl)F

InChI

InChI=1S/C14H19ClFN3S/c1-2-17-14(20)19-8-6-18(7-9-19)10-11-12(15)4-3-5-13(11)16/h3-5H,2,6-10H2,1H3,(H,17,20)